1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol

C15H22FNO2 — CID 116635301

IUPAC1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol
SMILESCC(O)c1c(F)cccc1N1CCCCCC1CO
InChIInChI=1S/C15H22FNO2/c1-11(19)15-13(16)7-5-8-14(15)17-9-4-2-3-6-12(17)10-18/h5,7-8,11-12,18-19H,2-4,6,9-10H2,1H3
InChIKeyKZRBNPDRRUOWHP-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.62
Rot. Bonds3

About 1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol

1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol (PubChem CID 116635301) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol
PubChem CID116635301
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol
SMILESCC(O)c1c(F)cccc1N1CCCCCC1CO
InChIInChI=1S/C15H22FNO2/c1-11(19)15-13(16)7-5-8-14(15)17-9-4-2-3-6-12(17)10-18/h5,7-8,11-12,18-19H,2-4,6,9-10H2,1H3
InChIKeyKZRBNPDRRUOWHP-UHFFFAOYSA-N
XLogP2.62
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 78940988
(1S)-1-[2-fluoro-6-[3-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol
CID 104877438
[1-(2-fluorophenyl)piperidin-2-yl]methanol
CID 68536498
(1S)-1-[2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorophenyl]ethanol
CID 78940819
1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol
CID 60974750
(1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
CID 78939949
(1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 55184859
(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 78939415
(1R)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 55183727
(1S)-1-[2-(3-ethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 78939877
(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551
1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine
CID 62889981

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol?
The IUPAC name of 1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol (CID 116635301) is 1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol.
What is the SMILES notation for 1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol?
The canonical SMILES for 1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol is CC(O)c1c(F)cccc1N1CCCCCC1CO.
What is the InChIKey of 1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol?
The InChIKey is KZRBNPDRRUOWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(19)15-13(16)7-5-8-14(15)17-9-4-2-3-6-12(17)10-18/h5,7-8,11-12,18-19H,2-4,6,9-10H2,1H3.
What are the key properties of 1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol?
1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol has a molecular weight of 267.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol is sourced from PubChem (CID 116635301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).